Calculate time to maximum rate under adiabatic condition by numerical calculation method

被引：0
|
作者：
Zhu Y. [1 ]
Wang H. [1 ]
Chen L. [1 ]
Guo Z. [1 ]
He Z. [1 ]
Chen W. [1 ]
机构：
[1] Department of Safety Engineering, School of Chemical Engineering, Nanjing University of Science and Technology, Nanjing, 210094, Jiangsu
来源：
Huagong Xuebao/CIESC Journal | 2019年 / 70卷 / 01期
关键词：
Autocatalysis; N-order; Safety; Stability; Thermal decomposition reaction; Thermodynamics; Time to maximum rate under adiabatic condition;
D O I：
10.11949/j.issn.0438-1157.20180678
中图分类号：
学科分类号：
摘要：
The maximum reaction rate arrival time (TMRad) is a very important parameter in chemical process thermal risk assessment. The general method for calculation of TMRad is based on N-order model kinetic analysis. However, the chemical reaction process is so complicated that only do kinetic analysis based on N-order without consider the type of reaction may cause large deviation or even incorrect assessments. Therefore, this paper proposes to calculate TMRad and TD24 by numerical calculation methods based on reaction model. 20% DTBP toluene solution and CHP represent N-order reaction and autocatalytic reaction, respectively. The analysis of ARC test data of two substances shows this method can be used to calculate TMRad and TD24 of N-order reaction reliably, but the comparison of autocatalytic reaction with two methods shows that although the fitting effect is very good, the general method calculated result has a large deviation, because the kinetic parameters are different under two models, this paper also perform the deviation size analysis. Therefore, it can be seen that the numerical calculation method has wide-range applicability, and to an exothermal curve, it is necessary to use the method to evaluate the TMRad and TD24 based on the understanding of the reaction type, so that the evaluation result is more reliable and accurate. © All Right Reserved.
引用
收藏
页码：379 / 387
页数：8
相关论文
共 31 条
  • [1] Etchells J.C., Why reactions run away, Organic Process Research & Development, 1, 6, pp. 435-437, (1997)
  • [2] Barbas R., Botija M., Camps H., Et al., Safety evaluation of an unexpected incident with a nitro compound, Organic Process Research & Development, 11, 6, pp. 1131-1134, (2007)
  • [3] Shimize S., Osato H., Imamura Y., Et al., Safety evaluation of sodium borohydride in dimethylacetamide, Organic Process Research & Development, 14, 6, pp. 1518-1520, (2010)
  • [4] Stoessel F., Thermal Safety of Chemical Process: Risk Assessment and Process Design, pp. 55-56, (2008)
  • [5] Peng M.J., Lu G.B., Chen W.H., Et al., Thermal decomposition characteristic and kinetics of AIBN in aniline solvent, Acta Physico-Chimica Sinica, 29, 10, pp. 2095-2100, (2013)
  • [6] Zhou Y.S., Chen L.P., Chen W.H., Et al., T<sub>D24</sub> determination for mono-nitration products of toluene, CIESC Journal, 65, 11, pp. 4383-4391, (2014)
  • [7] Semenoff N., Zur theorie des verbrennung sprozesses, Zeitschrift Für Physik, 48, 7, pp. 571-582, (1928)
  • [8] Townsend D.I., Tou J.C., Thermal hazard evaluation by an accelerating rate calorimeter, Thermochimica Acta, 37, 1, pp. 1-30, (1980)
  • [9] Tou J.C., Whiting L.F., The thermokinetic performance of an accelerating rate calorimeter, Thermochimica Acta, 48, 1, pp. 21-42, (1981)
  • [10] Frank-Kamenetskii D.A., Semenoff N., Wilhelm R.H., Diffusion and Heat Exchange in Chemical Kinetics, pp. 145-200, (1955)
1234